4-[(4-carboxyphenyl)methyl]phthalic acid

Systemtic Name: 4-[(4-carboxyphenyl)methyl]phthalic acid Openeye Name: 4-[(4-carboxyphenyl)methyl]phthalic acid CAS Name: 4-[(4-carboxyphenyl)methyl]phthalic acid IUPAC Name: 4-[(4-carboxyphenyl)methyl]phthalic acid Traditional Name: 4-(4-carboxybenzyl)phthalic acid Formula: C16H12O6 MolecularWeight: 300.26288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C16H12O6/c17-14(18)11-4-1-9(2-5-11)7-10-3-6-12(15(19)20)13(8-10)16(21)22/h1-6,8H,7H2,(H,17,18)(H,19,20)(H,21,22)